论文部分内容阅读
本文用CNDO/2方法计算了[(NH_3)_2PtX_2],[(CH_3NH_2)_2PtX_2],[enPtX_2]和[1,2—(NH_2)_2C_6H_(10)PtX_2]四个系列的23种配合物的电子结构,并用配合物的抗癌实验指标与由量子化学计算所得结果进行线性回归,得到七个回归方程,讨论了配合物的结构和活性间的关系。结果表明,合成一种毒性低、剂量小、活性高的配合物,不但要考虑胺配体对配合物抗癌活性的影响,而且酸根配体对配合物的活性也起着重要的作用。
In this paper, we calculated the electronic structures of 23 complexes of [(NH_3) _2PtX_2], [(CH_3NH_2) _2PtX_2], [enPtX_2] and [1,2- (NH_2) _2C_6H_ (10) PtX_2] using the CNDO / Structure, and using the anticancer experimental index of the complex and the result obtained by quantum chemistry calculation, a linear regression was made. Seven regression equations were obtained, and the relationship between the structure and activity of the complex was discussed. The results show that the synthesis of a low toxicity, low dose, high activity of the complex, not only to consider the amine ligand on the anticancer activity of the compound, and the ligand activity of the complex also plays an important role.